4-methyl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine

C8H10F4N4O — CID 103476929

IUPAC4-methyl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine
SMILESCc1nc(N)nc(COCC(F)(F)C(F)F)n1
InChIInChI=1S/C8H10F4N4O/c1-4-14-5(16-7(13)15-4)2-17-3-8(11,12)6(9)10/h6H,2-3H2,1H3,(H2,13,14,15,16)
InChIKeyIQITTYMSMLXSRL-UHFFFAOYSA-N
MW254.19 g/mol
LogP1.18
Rot. Bonds5

About 4-methyl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine

4-methyl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine (PubChem CID 103476929) has the molecular formula C8H10F4N4O and a molecular weight of 254.19 g/mol. Its IUPAC name is 4-methyl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methyl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine
PubChem CID103476929
Molecular FormulaC8H10F4N4O
Molecular Weight254.19 g/mol
Exact Mass254.08
IUPAC Name4-methyl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine
SMILESCc1nc(N)nc(COCC(F)(F)C(F)F)n1
InChIInChI=1S/C8H10F4N4O/c1-4-14-5(16-7(13)15-4)2-17-3-8(11,12)6(9)10/h6H,2-3H2,1H3,(H2,13,14,15,16)
InChIKeyIQITTYMSMLXSRL-UHFFFAOYSA-N
XLogP1.18
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.19
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-methyl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine (CID 103476929) is 4-methyl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methyl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methyl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine is Cc1nc(N)nc(COCC(F)(F)C(F)F)n1.
What is the InChIKey of 4-methyl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine?
The InChIKey is IQITTYMSMLXSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F4N4O/c1-4-14-5(16-7(13)15-4)2-17-3-8(11,12)6(9)10/h6H,2-3H2,1H3,(H2,13,14,15,16).
What are the key properties of 4-methyl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine?
4-methyl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine has a molecular weight of 254.19 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 103476929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).